[phenixbb] N-acetylgalactosamine lacking amide planarity restraint

Nigel Moriarty nwmoriarty at lbl.gov
Wed Jan 20 11:28:13 PST 2016


Tristan

Can you send the model so I can check what is happening.

Cheers

Nigel

---
Nigel W. Moriarty
Building 33R0349, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov

On Mon, Jan 18, 2016 at 5:19 AM, Tristan Croll <tristan.croll at qut.edu.au>
wrote:

> Hi,
>
>
> I'm refining a structure that includes an O-linked N-acetylgalactosamine
> (NGA) residue, and from the way it's behaving the N-acetyl amide clearly
> has no restraints on its planarity. It's currently twisted almost 45
> degrees from planar despite having no close contacts.
>
>
> Cheers,
>
>
> Tristan
>
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